Molecule

ID:55050

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄N₄
Molecular Mass
154.21286
Exact Mass
154.12184647
Charge
0
InChI
InChI=1S/C7H14N4/c1-6-9-7(2)11(10-6)5-3-4-8/h3-5,8H2,1-2H3
InChIKey
UUJBKYUVARGEOD-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(nn1CCCN)C
Isomeric Smiles
n1c(n(nc1C)CCCN)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.535591
LogD (pH = 7.4)
-3.065658
Log P
-0.3327744
Molar Refractivity
56.0158
Polarizability
16.751625
Polar Surface Area
56.73
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation